⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL17816247 | 0.88 | HSP90AA1 (0.31) | — | |
| SCHEMBL17170026 | 0.85 | ALDH1A1 (0.34) | — | |
| SCHEMBL16454220 | 0.78 | HPGD (0.30) | — | |
| SCHEMBL17816234 | 0.78 | GABRA2 (0.35) | — | |
| SCHEMBL17816248 | 0.76 | — | — | |
| SCHEMBL17816256 | 0.75 | SQOR (0.33) | — | |
| SCHEMBL17816253 | 0.75 | AR (0.33) | — | |
| SCHEMBL17194945 | 0.73 | KDM4E (0.32) | — | |
| SCHEMBL19191539 | 0.72 | CYP3A4 (0.33) | — | |
| SCHEMBL17808278 | 0.71 | GABRA2 (0.36) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9963445-B2 | Chemical compounds | SYNGENTA LIMITED (GB) | 2018-05-08 | — | — | US | disclosed |
| US-9963445-B2 | Chemical compounds | SYNGENTA LIMITED (GB) | 2018-05-08 | — | — | US | disclosed |
| US-20160159781-A1 | CHEMICAL COMPOUNDS | SYNGENTA PARTICIPATIONS AG (CH) | 2016-06-09 | — | — | US | disclosed |